1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one

C20H27N5O2 — CID 56892932

IUPAC1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one
SMILESCCCOC(C)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1
InChIInChI=1S/C20H27N5O2/c1-5-12-27-14(2)20(26)25-11-8-16-17(13-25)22-18(23-19(16)24(3)4)15-6-9-21-10-7-15/h6-7,9-10,14H,5,8,11-13H2,1-4H3
InChIKeyXDQPZNHIARFBSO-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.30
Rot. Bonds6

About 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one

1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one (PubChem CID 56892932) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one
PubChem CID56892932
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one
SMILESCCCOC(C)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1
InChIInChI=1S/C20H27N5O2/c1-5-12-27-14(2)20(26)25-11-8-16-17(13-25)22-18(23-19(16)24(3)4)15-6-9-21-10-7-15/h6-7,9-10,14H,5,8,11-13H2,1-4H3
InChIKeyXDQPZNHIARFBSO-UHFFFAOYSA-N
XLogP2.30
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one?
The IUPAC name of 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one (CID 56892932) is 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one?
The canonical SMILES for 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one is CCCOC(C)C(=O)N1CCc2c(nc(-c3ccncc3)nc2N(C)C)C1.
What is the InChIKey of 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one?
The InChIKey is XDQPZNHIARFBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-5-12-27-14(2)20(26)25-11-8-16-17(13-25)22-18(23-19(16)24(3)4)15-6-9-21-10-7-15/h6-7,9-10,14H,5,8,11-13H2,1-4H3.
What are the key properties of 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one?
1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one has a molecular weight of 369.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-propoxypropan-1-one is sourced from PubChem (CID 56892932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).